1,3-bis[4-(ethenyloxy)butyl] benzene-1,3-dicarboxylate

• ChemBase ID: 138014
• Molecular Formular: C20H26O6
• Molecular Mass: 362.41684
• Monoisotopic Mass: 362.17293855
• SMILES: C=COCCCCOC(=O)c1cccc(c1)C(=O)OCCCCOC=C
• Canonical SMILES: C=COCCCCOC(=O)c1cccc(c1)C(=O)OCCCCOC=C
• InChI: InChI=1S/C20H26O6/c1-3-23-12-5-7-14-25-19(21)17-10-9-11-18(16-17)20(22)26-15-8-6-13-24-4-2/h3-4,9-11,16H,1-2,5-8,12-15H2
• InChIKey: KZYBDOUJLUPBEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-bis[4-(ethenyloxy)butyl] benzene-1,3-dicarboxylate
• IUPAC Traditional name: 1,3-bis[4-(ethenyloxy)butyl] benzene-1,3-dicarboxylate
• Synonyms: VEctomer® 4010 vinyl ether; Bis[4-(vinyloxy)butyl] isophthalate; VEctomer® 4010 乙烯醚; 二[4-(乙烯氧基)丁基]异酞酸酯

Database IDs

• CAS Number: 130066-57-8
• EC Number: 413-930-0
• MDL Number: MFCD01863593
• PubChem SID: 162232273; 24873057
• PubChem CID: 86390

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.0502424
• LogD (pH = 7.4): 4.0502424
• Log P: 4.0502424
• Molar Refractivity: 98.6 cm^3
• Polarizability: 38.498005 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Density: 1.1 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.51(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 43-50/53
• Safety Statements: 24-37-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H317-H410
• GHS Precautionary statements: P273-P280-P501
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

Product Information

• Purity: 96%
• Linear Formula: C6H4-1,3-[CO2(CH2)4OCH=CH2]2

DETAILS

Sigma Aldrich - 496464

Legal Information
Product of Morflex, Inc.
VEctomer is a registered trademark of Vertellus Specialties, Inc.